CHEBI:225497 - Gregatin G2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Gregatin G2
ChEBI ID CHEBI:225497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O5
Net Charge 0
Average Mass 294.347
Monoisotopic Mass 294.14672
InChI InChI=1S/C16H22O5/c1-5-8-12-13(15(19)20-4)14(18)16(3,21-12)10-7-6-9-11(2)17/h6-7,9-11,17H,5,8H2,1-4H3/b9-6+,10-7+/t11-,16+/m0/s1
InChIKey OLFTVRVPEUFOCA-ZMYVDAHDSA-N
SMILES O=C1C(=C(CCC)O[C@@]1(/C=C/C=C/[C@@H](O)C)C)C(=O)OC
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Gregatin G2 (CHEBI:225497) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
methyl (5R)-5-[(1E,3E,5S)-5-hydroxyhexa-1,3-dienyl]-5-methyl-4-oxo-2-propyluran-3-carboxylate